SCHEMBL8042685

SCHEMBL8042685

O=C(O)c1ccc2nc(Sc3nnnn3-c3cccs3)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 9/20 0.42
ALDH1A1 P00352 9/20 0.42
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
POLB P06746 4/20 0.40
MAPT P10636 7/20 0.39
HTT P42858 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MITF O75030 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8044411 0.85 KMT2A (0.55) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8033820 0.84 ALDH1A1 (0.49) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8046550 0.84 ALDH1A1 (0.40) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8047829 0.84 ALDH1A1 (0.40) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8050866 0.83 ALDH1A1 (0.45) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8052167 0.83 ALDH1A1 (0.41) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8042895 0.83 ALDH1A1 (0.40) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8042637 0.83 HPGD (0.41) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8033976 0.82 ALDH1A1 (0.39) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8043423 0.82 ALDH1A1 (0.50) KDM4ESMN1; SMN2LMNAHPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed